pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.57	AttenGpKa training set	1	0	CC[NH+](CC)[C@@H](C)[C@@H](C)NC(=O)c1ccccc1C	CCN(CC)[C@@H](C)[C@@H](C)NC(=O)c1ccccc1C	mol24353	CCN(CC)[C@@H](C)[C@@H](C)NC(=O)c1ccccc1C